N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide

C17H15NO2S — CID 45497074

IUPACN-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)c2ccccc21
InChIInChI=1S/C17H15NO2S/c1-21-16-9-5-4-8-14(16)18-17(20)13-10-15(19)12-7-3-2-6-11(12)13/h2-9,13H,10H2,1H3,(H,18,20)
InChIKeyGSWLMYDXVVIWMG-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.72
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide

N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 45497074) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID45497074
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)c2ccccc21
InChIInChI=1S/C17H15NO2S/c1-21-16-9-5-4-8-14(16)18-17(20)13-10-15(19)12-7-3-2-6-11(12)13/h2-9,13H,10H2,1H3,(H,18,20)
InChIKeyGSWLMYDXVVIWMG-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46696236
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
N-[2-(difluoromethylsulfanyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134000047
N-[3-[methyl-(3-oxo-1,2-dihydroindene-1-carbonyl)amino]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 146089982
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
methyl 3-[(2-methylsulfanylphenyl)carbamoyl]cyclobutane-1-carboxylate
CID 56926313
N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 136566515
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide (CID 45497074) is N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide is CSc1ccccc1NC(=O)C1CC(=O)c2ccccc21.
What is the InChIKey of N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is GSWLMYDXVVIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-21-16-9-5-4-8-14(16)18-17(20)13-10-15(19)12-7-3-2-6-11(12)13/h2-9,13H,10H2,1H3,(H,18,20).
What are the key properties of N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide?
N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 45497074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).